SCHEMBL4581518

SCHEMBL4581518

COc1ccc(Nc2cncc3ccc(C(=O)NCc4ccco4)nc23)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.61
ALDH1A1 P00352 9/20 0.53
HPGD P15428 7/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
LMNA P02545 4/20 0.49
GAA P10253 3/20 0.49
MAPK1 P28482 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
KDM4E B2RXH2 5/20 0.47
HSD17B10 Q99714 3/20 0.47
TSHR P16473 2/20 0.47
USP2 O75604 1/20 0.47
ALOX15 P16050 1/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
RAB9A P51151 3/20 0.47
POLB P06746 3/20 0.47
HTT P42858 2/20 0.47
GLA P06280 2/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4580889 0.90 MAPT (0.59) MAPTALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL4579023 0.88 ALDH1A1 (0.50) MAPTALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL4580503 0.88 ALDH1A1 (0.52) MAPTALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL4580584 0.85 GAA (0.48) MAPTALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL4581576 0.84 ALDH1A1 (0.53) MAPTALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL4580266 0.79 POLB (0.53) MAPTALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL4581196 0.79 ALDH1A1 (0.60) MAPTALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL4580475 0.78 AKR1C3 (0.48) MAPTALDH1A1SMN1; SMN2LMNAGAA
SCHEMBL14266821 0.77 ALDH1A1 (0.55) MAPTALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL4578523 0.77 PTGS1 (0.43) MAPTGAAMAPK1MEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080032991-A1 2, 8-disubstituted Naphthyridine Derivatives SERENEX, INC. 2008-02-07 US claimed
US-7282506-B2 2,8-disubstituted naphthyridine derivatives SERENEX, INC. (US) 2007-10-16 US claimed
EP-1773834-A2 2, 8-DISUBSTITUTED NAPHTHYRIDINE DERIVATIVES Serenex, Inc. (US) 2007-04-18 EP claimed
WO-2006017672-A2 2, 8-DISUBSTITUTED NAPHTHYRIDINE DERIVATIVES SERENEX INC. (US) 2006-02-16 WO claimed
US-20060030584-A1 2,8-Disubstituted naphthyridine derivatives SERENEX, INC. 2006-02-09 US claimed
US-20080032991-A1 2, 8-disubstituted Naphthyridine Derivatives SERENEX, INC. 2008-02-07 US disclosed
US-20080032991-A1 2, 8-disubstituted Naphthyridine Derivatives SERENEX, INC. 2008-02-07 US disclosed
US-7282506-B2 2,8-disubstituted naphthyridine derivatives SERENEX, INC. (US) 2007-10-16 US disclosed
US-7282506-B2 2,8-disubstituted naphthyridine derivatives SERENEX, INC. (US) 2007-10-16 US disclosed
US-7282506-B2 2,8-disubstituted naphthyridine derivatives SERENEX, INC. (US) 2007-10-16 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060030584-A1 2,8-Disubstituted naphthyridine derivatives CCNA1, FOXM1, CCNA2 MAPT 4199/4885ALDH1A1 107/4885HPGD 808/4885
US-20080032991-A1 2, 8-disubstituted Naphthyridine Derivatives CCNA1, FOXM1, CCNA2 MAPT 4199/4885ALDH1A1 107/4885HPGD 808/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.